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DOE OSTI2025

Reviewing Incident Neutron Energy assignments in 238 U(n,f) Fission Yield Data

Fission yield evaluations rely not only on precise measurements, but also on clear documentation of experimental conditions especially the energy of incident neutrons inducing fission. In the EXFOR database, following the convention adopted in past evaluations, the incident neutron energy has traditionally been divided in only three energy groups: thermal, fast and 14 MeV. The information is stored in the EN-DUMMY field, which often serves as a placeholder in the presence of broad-spectrum or reactor-based sources. This work reviews 238 U(n,f) entries in EXFOR that use EN-DUMMY, identifying cases where better energy estimates can be made based on the original publications, facility characteristics, or reconstructed neutron spectra. We assign new cross-section-weighted average energies where possible. The revised independent and cumulative fission yield data are compiled for future use in model development and evaluation efforts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Steering Molecular Dynamics Simulations of Membrane-Associated Proteins with Neutron Reflection Results

Herein, we present a novel method to incorporate structural results from surface-sensitive scattering, such as X-ray or neutron reflectometry, into molecular dynamics simulations. While reflectometry techniques generally provide a means to determine the molecular-scale structures of organized interfacial films, they were recently shown to offer the capability to characterize the structures of protein-membrane complexes supported by a solid substrate. One-dimensional information inherent in the experimental results is used in the form of component volume occupancy (CVO) profiles, which describe the distribution of molecular components within an interfacial architecture, to construct real-space constraints in the form of a biasing potential for the simulation that vanishes when the simulated and experimental profiles agree. This approach improves the correspondence between simulation and experiment, as shown in the re-evaluation of an neutron-reflection-derived structure which was approximated by an independent molecular dynamics simulation in earlier work, and it also leads to faster equilibration of ensemble structures. We further show that time averaging the CVO profile that develops in the simulation while biasing with this approach permits fluctuations about the average that are necessary for conformational exploration of the system. This method is particularly valuable for studies of proteins at interfaces that contain disordered regions since the conformation of such regions is difficult to judge from the analysis of one-dimensional experimental profiles and may take prohibitively long to equilibrate in simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Use of Shallow Ice Core Measurements to Evaluate and Constrain 1980–1990 Global Reanalyses of Ice Sheet Precipitation Rates

Abstract Sea‐level rise (SLR) projections by Earth System Models (ESMs) depend on ice sheet surface mass balances. Accurate, global atmosphere reanalyses would be ideal for providing equilibrated ice sheet model initial conditions in fully coupled ESM simulations. Here we present the first evaluation of 1980–1990 global reanalysis precipitation over Greenland and Antarctica that uses independent observations of net accumulation rates derived from shallow ice cores. Precipitation distributions from both the European Centre for Medium‐Range Weather Forecast's Reanalysis (ERA5) and the Modern‐Era Retrospective Analysis for Research and Applications (MERRA‐2) are highly correlated with contemporaneous co‐located net accumulation rates from Greenland ( r 2 > 0.95) and West Antarctica ( r 2 > 0.7). Three other commonly used reanalyses (WFDE5, CRUNCEP, and GSWP3) exhibit significantly weaker correlations on one or both ice sheets. Our findings imply that ESMs should use ERA5 or MERRA‐2 in data‐forced simulations to validate ice sheet model dynamics and precondition firn for SLR projections.

Schneider, Adam↗

DOE OSTI2024

The Collaborative Seismic Earth Model: Generation 2

Geological interpretations, earthquake source inversions and ground motion modeling, among other applications, require models that jointly resolve crustal and mantle structure. With the second generation of the Collaborative Seismic Earth Model (CSEM2), we present a global multi-resolution tomographic Earth model that serves this purpose. The model evolves through successive regional- and global-scale refinements. While the first generation aggregated regional models, with this study, we ensure consistency between all individual submodels, resulting in a model that accurately explains wave propagation across scales. Recent regional tomographic models were incorporated, comprising continental-scale inversions for Asia and Africa, as well as regional inversions for the Western US, Central Andes, Iran, and Southeast Asia. Across all regional refinements, over 793,000 source-receiver pairs contributed. Moreover, the long-wavelength Earth model (LOWE) introduces large-scale structures outside of pre-existing local refinements. A full-waveform inversion for global anisotropic P-and S-wave speed structure over a total of 194 iterations with a minimum period of 50 s on a large data set of 1 hr of waveform data from 2,423 earthquakes and over 6 million source-receiver pairs ensures that regional updates in the crust and uppermost mantle translate into updates of deeper, global-scale structure. To test the performance of CSEM2, we evaluate waveform fits between observed and synthetic seismograms at 50 s for an independent data set on the global scale, and on the regional scale for lower periods. We accurately simulate waveforms within and across regional refinements, maintaining the original resolution of the submodels embedded in the global framework.

58 GEOSCIENCES↗

DOE OSTI2023

Considering the Variability of Soiling in Long-Term PV Performance Forecasting

This study presents the development of a methodology for evaluating the variability associated with soiling on long-term photovoltaic (PV) forecasting. Independent engineering firms typically build forecasts for large PV plants through the use of the PVsyst software, where monthly soiling losses are one of many inputs to the P50 model. Subsequently, long-term performance distributions are constructed through a Monte Carlo analysis that includes various factors, such as satellite irradiance modeling uncertainty, uncertainty in the PVsyst model, and long-term irradiance variability. Often the PVsyst model uncertainty is increased to account for sites with significant soiling concerns but no systematic method has been presented in the literature to specifically include soiling variability within long-term performance uncertainty. In this work soiling information from 16 sites in the U.S. Southwest are combined with 24 years of rainfall data to generate 24 years of energy production with soiling losses and then subsequently generate probability of exceedance values (e.g., P50, P90, P95…). The results show that the size of the 90% confidence interval (P5–P95) can increase from –0.7% to 10.1% when interannual soiling variability and soiling rate uncertainty is included.

14 SOLAR ENERGY↗

DOE OSTI2025

Full‐Waveform Simulation of Infrasound Propagation in the Atmosphere: A Case Study of the 2023 April 20 SpaceX Starship Explosion

Infrasound, low‐frequency sound below 20 Hz, has been a key technology to monitor explosion events in the atmosphere. The International Monitoring System (IMS) of the Comprehensive Nuclear‐Test‐Ban Treaty Organization provides the means for continuous monitoring of infrasonic events worldwide. Infrasonic techniques for event location and size estimation can also complement other observational techniques for the detection and characterization of the entry of asteroids or large meteoroids. In this study, we describe the detection capability of IMS infrasound stations for an explosive event in the middle of the atmosphere. Full‐waveform simulations are performed with the specification of atmospheric conditions and incorporated into the event location and explosion yield estimation. We applied it to the 2023 April 20 SpaceX Starship explosion at 29 km altitude. Starship is a super heavy‐lift space vehicle constructed by SpaceX and known as the largest and most powerful rocket ever built. The Starship explosion created huge pressure disturbances in the atmosphere, and its infrasound was detected by the IMS arrays in North America between 2000 and 4000 km. Independent observational data and available ground‐truth information provide a rare opportunity to evaluate the monitoring capability of the IMS network for elevated sources in the atmosphere. We also demonstrate the capability of full‐waveform simulation for infrasound wavefield characterization and prediction to improve event location and yield estimation.

Geosciences↗

DOE OSTI2023

Closed Loop Geothermal Working Group: GeoCLUSTER App, Subsurface Simulation Results, and Publications

To better understand the heat production, electricity generation performance, and economic viability of closed-loop geothermal systems in hot-dry rock, the Closed-Loop Geothermal Working Group -- a consortium of several national labs and academic institutions has tabulated time-dependent numerical solutions and levelized cost results of two popular closed-loop heat exchanger designs (u-tube and co-axial). The heat exchanger designs were evaluated for two working fluids (water and supercritical CO2) while varying seven continuous independent parameters of interest (mass flow rate, vertical depth, horizontal extent, borehole diameter, formation gradient, formation conductivity, and injection temperature). The corresponding numerical solutions (approximately 1.2 million per heat exchanger design) are stored as multi-dimensional HDF5 datasets and can be queried at off-grid points using multi-dimensional linear interpolation. A Python script was developed to query this database and estimate time-dependent electricity generation using an organic Rankine cycle (for water) or direct turbine expansion cycle (for CO2) and perform a cost assessment. This document aims to give an overview of the HDF5 database file and highlights how to read, visualize, and query quantities of interest (e.g., levelized cost of electricity, levelized cost of heat) using the accompanying Python scripts. Details regarding the capital, operation, and maintenance and levelized cost calculation using the techno-economic analysis script are provided. This data submission will contain results from the Closed Loop Geothermal Working Group study that are within the public domain, including publications, simulation results, databases, and computer codes. GeoCLUSTER is a Python-based web application created using Dash, an open-source framework built on top of Flask that streamlines the building of data dashboards. GeoCLUSTER provides users with a collection of interactive methods for streamlining the exploration and visualization of an HDF5 dataset. The GeoCluster app and database are contained in the compressed file geocluster_vx.zip, where the "x" refers to the version number. For example, geocluster_v1.zip is Version 1 of the app. This zip file also contains installation instructions. **To use the GeoCLUSTER app in the cloud, click the link to "GeoCLUSTER on AWS" in the Resources section below. To use the GeoCLUSTER app locally, download the geocluster_vx.zip to your computer and uncompress this file. When uncompressed this file comprises two directories and the geocluster_installation.pdf file. The geo-data app contains the HDF5 database in condensed format, and the GeoCLUSTER directory contains the GeoCLUSTER app in the subdirectory dash_app, as app.py. The geocluster_installation.pdf file provides instructions on installing Python, the needed Python modules, and then executing the app.

15 GEOTHERMAL ENERGY↗

NASA NTRS1972

RAM environment control and life support subsystem.

The Research and Application Modules (RAMs) are shuttle payloads designed to provide economical manned facilities for earth orbital research and development. Support of the habitable environment in the sortie class RAMs can be accomplished by an independent ECLSS installation or by integration with the shuttle ECLSS. The RAM study evaluated advantages and disadvantages of various degrees of the two alternative installations. Selection of the optimum subsystem was made from an overall shuttle/RAM standpoint. These trade studies are presented and the resulting ECLSS support concept are discussed.

Arras, R. P.↗

NASA NTRS1977

A two-scale scattering model with application to the JONSWAP '75 aircraft microwave scatterometer experiment

The general problem of bistatic scattering from a two scale surface was evaluated. The treatment was entirely two-dimensional and in a vector formulation independent of any particular coordinate system. The two scale scattering model was then applied to backscattering from the sea surface. In particular, the model was used in conjunction with the JONSWAP 1975 aircraft scatterometer measurements to determine the sea surface's two scale roughness distributions, namely the probability density of the large scale surface slope and the capillary wavenumber spectrum. Best fits yield, on the average, a 0.7 dB rms difference between the model computations and the vertical polarization measurements of the normalized radar cross section. Correlations between the distribution parameters and the wind speed were established from linear, least squares regressions.

Wentz, F. J.↗

NASA NTRS1978

Stratospheric-related research using the shock tube

The capabilities of shock tubes used in stratospheric-related research are considered, and the results of three independent shock tube research projects are reported. The studies are concerned with the evaluation of stratospheric ozone depletion. In the first experiment, photoabsorption cross sections of Freon 11 and 12 at stratospheric temperatures were measured using rarefaction waves. In the second experiment, reaction-rate coefficients were determined from measurements made behind reflected shock waves. In the third experiment, electronic-transition moments of the O2 Schumann-Runge system and the A2Pi-X2Pi system of ClO were deduced from intensity measurements made behind the incident shock.

Cooper, D. M.↗

NASA NTRS1980

Heat-rejection design for large concentrating solar arrays

This paper considers the effect of heat rejection devices (radiators) on the performance and cost of large concentrating solar arrays for space application. Overall array characteristics are derived from the weight, cost, and performance of four major components; namely primary structure, optics/secondary structure, radiator, and solar panel. An ideal concentrator analysis is used to establish general cost and performance trends independent of specific array design. Both passive and heat-pipe radiation are evaluated, with an incremental cost-of-power approach used in the evaluation. Passive radiators are found to be more cost effective with silicon than with gallium arsenide (GaAs) arrays. Representative concentrating arrays have been evaluated for both near-term and advanced solar cell technology. Minimum cost of power is achieved at geometric concentration ratios in the range 2 to 6.

French, E. P.↗

NASA NTRS1982

An analytical approach to thermal modeling of Bridgman-type crystal growth. I - One-dimensional analysis

A relatively simple one-dimensional thermal model of the Bridgman growth process has been developed which is applicable to the growth of small diameter samples with conductivities similar to those of metallic alloys. The heat flow in a translating rod is analyzed in a way that is applicable to Biot numbers less than unity. The model accommodates an adiabatic zone, different heat transfer coefficients in the hot and cold zones, and changes in sample material properties associated with phase change. The analysis is applied to several simplified cases. The effect of the rod's motion is studied in a three-zone furnace for a rod sufficiently long that end effects can be neglected; end effects are then investigated for a motionless rod. Finally, the addition of a fourth zone, an independently controlled booster heater between the main heater and the adiabatic zone, is evaluated for its ability to increase the gradient in the sample at the melt interface and to control the position of the interface.

Naumann, R. J.↗

NASA NTRS1984

Acoustic structure and propagation in highly porous, layered, fibrous materials

The acoustic structure and propagation of sound in highly porous, layered, fine fiber materials is examined. Of particular interest is the utilization of the Kozeny number for determining the static flow resistance and the static structure factor based on flow permeability measurements. In this formulation the Kozeny number is a numerical constant independent of volume porosity at high porosities. The other essential parameters are then evaluated employing techniques developed earlier for open cell foams. The attenuation and progressive phase characteristics in bulk samples are measured and compared with predicted values. The agreements on the whole are very satisfactory.

Lambert, R. F.↗

NASA NTRS1984

Acoustic structure and propagation in highly porous, layered, fibrous materials

Lambert, R. F.↗

NASA NTRS1993

Space Station redesign option A: Modular buildup concept

In early 1993, President Clinton mandated that NASA look at lower cost alternatives to Space Station Freedom. He also established an independent advisory committee - the Blue Ribbon Panel - to review the redesign work and evaluate alternatives. Daniel Goldin, NASA Administrator, established a Station Redesign Team that began operating in late March from Crystal City, Virginia. NASA intercenter teams - one each at Marshall Space Flight Center, Johnson Space Center, and Langley Research Center provided engineering and other support. The results of the Option A study done at Marshall Space Flight Center are summarized. Two configurations (A-1 and A-2) are covered. Additional data is provided in the briefing package MSFC SRT-001, Final System Review to SRT-002, Space Station Option A Modular Buildup Concept, Volumes 1-5, Revision B, June 10, 1993. In June 1993, President Clinton decided to proceed with a modular concept consistent with Option A, and asked NASA to provide an Implementation Plan by September. All data from the Option A redesign activity was provided to NASA's Transition Team for use in developing the Implementation Plan.

Source record↗

NASA NTRS1996

Repartitioning of NaCl and Protein Impurities in Lysozyme Crystallization

Nonuniform precipitant and impurity incorporation in protein crystals can cause lattice strain and, thus, possibly decrease the X-ray diffraction resolution. To address this issue, a series of crystallization experiments were carried out, in which initial supersaturation, NaCl concentration, protein purity level and crystallized fraction were varied. Lysozyme and protein impurities, as well as sodium and chloride were independently determined in the initial solution, supernatant and crystals. The segregation coefficients for Na(+) and Cl(-) were found to be independent of supersaturation and NaCl concentration, and decreased with crystallized fraction/crystal size. Numerical evaluation of the extensive body of data, based on a nucleation-growth- repartitioning model, suggests a core of approx. 40 microns in which salt is incorporated in much greater concentrations than during later growth. Small crystals containing higher amounts of incorporated NaCl also had higher protein impurity contents. This suggests that the excess salt is associated with the protein impurities in the core. X-ray topography revealed strain fields in the center of the crystals comparable in size to the inferred core. The growth rates of crystals smaller than 30-40 pm in size were consistently 1.5-2 times lower than those of larger crystals, presumably due to higher chemical potentials in the core.

Vekilov, Peter G.↗

NASA NTRS2003

Resource Management for Real-Time Adaptive Agents

Increased autonomy and automation in onboard flight systems offer numerous potential benefits, including cost reduction and greater flexibility. The existence of generic mechanisms for automation is critical for handling unanticipated science events and anomalies where limitations in traditional control software with fixed, predetermined algorithms can mean loss of science data and missed opportunities for observing important terrestrial events. We have developed such a mechanism by adding a Hierarchical Agent-based ReaLTime technology (HART) extension to our Dynamic Resource Management (DRM) middleware. Traditional DRM provides mechanisms to monitor the realtime performance of distributed applications and to move applications among processors to improve real-time performance. In the HART project we have designed and implemented a performance adaptation mechanism to improve reaktime performance. To use this mechanism, applications are developed that can run at various levels of quality. The DRM can choose a setting for the quality level of an application dynamically at run-time in order to manage satellite resource usage more effectively. A groundbased prototype of a satellite system that captures and processes images has also been developed as part of this project to be used as a benchmark for evaluating the resource management framework A significant enhancement of this generic mission-independent framework allows scientists to specify the utility, or "scientific benefit," of science observations under various conditions like cloud cover and compression method. The resource manager then uses these benefit tables to determine in redtime how to set the quality levels for applications to maximize overall system utility as defined by the scientists running the mission. We also show how maintenance functions llke health and safety data can be integrated into the utility framework. Once thls framework has been certified for missions and successfully flight tested it can be reused with little development overhead for other missions. In contrast, current space missions llke Swift manage similar types of resource trade -off completely with the scientific application code itself, and such code must be re-certified and tested for each mission even if a large portion of the code base is shared. This final report discusses some of the major issues motivating this research effort, provides a literature review of the related work, discusses the resource management framework and ground-based satellite system prototype that has been developed, indicates what work is yet to be performed, and provides a list of publications resulting from this work.

Welch, Lonnie↗

NASA NTRS2005

Interstellar Isomers: The Importance of Bonding Energy Differences

We present strong detections of methyl cyanide (CH3CN), vinyl cyanide (CH2CHCN), ethyl cyanide (CH3CH2CN) and cyanodiacetylene (HC4CN) molecules with the Green Bank Telescope (GBT) toward the Sgr B2(N) molecular cloud. Attempts to detect the corresponding isocyanide isomers were only successful in the case of methyl isocyanide (CH3NC) for its J(sub K) = 1(sub 0) - 0(sub 0) transition, which is the first interstellar report of this line. To determine the spatial distribution of CH3NC, we used archival Berkeley-Illinois-Maryland Association (BIMA) array data for the J(sub K) = 1(sub 0) - 0(sub 0) transitions but no emission was detected. From ab initio calculations, the bonding energy difference between the cyanide and isocyanide molecules is greater than 8500 per centimeter (greater than 12,000 K). Thus, cyanides are the more stable isomers and would likely be formed more preferentially over their isocyanide counterparts. That we detect CH3NC emission with a single antenna (Gaussian beamsize(omega(sub B))=1723 arcsec(sup 2)) but not with an interferometer (omega(sub b)=192 arcsec(sup 2)), strongly suggests that CH3NC has a widespread spatial distribution toward the Sgr B2(N) region. Other investigators have shown that CH3CN is present both in the LMH hot core of Sgr B2(N) and in the surrounding medium, while we have shown that CH3NC appears to be deficient in the LMH hot core. Thus, largescale, non-thermal processes in the surrounding medium may account for the conversion of CH3CN to CH3NC while the LMH hot core, which is dominated by thermal processes, does not produce a significant amount of CH3NC. Ice analog experiments by other investigators have shown that radiation bombardment of CH3CN can produce CH3NC, thus supporting our observations. We conclude that isomers separated by such large bonding energy differences are distributed in different interstellar environments, making the evaluation of column density ratios between such isomers irrelevant unless it can be independently shown that these species are co-spatial.

Remijan, Anthony J.↗